3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

C16H12F2N6O3 — CID 156518587

IUPAC3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc3cc(OC(F)F)c(OCc4ccccn4)nn23)no1
InChIInChI=1S/C16H12F2N6O3/c1-9-6-11(23-27-9)14-21-20-13-7-12(26-16(17)18)15(22-24(13)14)25-8-10-4-2-3-5-19-10/h2-7,16H,8H2,1H3
InChIKeyOOIXOLCXPAPEAT-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.66
Rot. Bonds6

About 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 156518587) has the molecular formula C16H12F2N6O3 and a molecular weight of 374.31 g/mol. Its IUPAC name is 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID156518587
Molecular FormulaC16H12F2N6O3
Molecular Weight374.31 g/mol
Exact Mass374.09
IUPAC Name3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc3cc(OC(F)F)c(OCc4ccccn4)nn23)no1
InChIInChI=1S/C16H12F2N6O3/c1-9-6-11(23-27-9)14-21-20-13-7-12(26-16(17)18)15(22-24(13)14)25-8-10-4-2-3-5-19-10/h2-7,16H,8H2,1H3
InChIKeyOOIXOLCXPAPEAT-UHFFFAOYSA-N
XLogP2.66
TPSA100.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (CID 156518587) is 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nnc3cc(OC(F)F)c(OCc4ccccn4)nn23)no1.
What is the InChIKey of 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is OOIXOLCXPAPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O3/c1-9-6-11(23-27-9)14-21-20-13-7-12(26-16(17)18)15(22-24(13)14)25-8-10-4-2-3-5-19-10/h2-7,16H,8H2,1H3.
What are the key properties of 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 374.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(difluoromethoxy)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156518587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).